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Information card for entry 4314070
Preview
Coordinates | 4314070.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C55 H50 B Cl P4 Ru |
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Calculated formula | C55 H50 B Cl P4 Ru |
SMILES | [Ru]12(Cl)([P](C[B](c3ccccc3)(C[P]1(c1ccccc1)c1ccccc1)C[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[P](C)(C)C.Cc1ccccc1 |
Title of publication | The Strong-Field Tripodal Phosphine Donor, [PhB(CH2PiPr2)3]-, Provides Access to Electronically and Coordinatively Unsaturated Transition Metal Complexes |
Authors of publication | Theodore A. Betley; Jonas C. Peters |
Journal of publication | Inorganic Chemistry |
Year of publication | 2003 |
Journal volume | 42 |
Pages of publication | 5074 - 5084 |
a | 19.215 ± 0.003 Å |
b | 12.228 ± 0.0019 Å |
c | 20.5 ± 0.003 Å |
α | 90° |
β | 107.805 ± 0.002° |
γ | 90° |
Cell volume | 4586 ± 1.2 Å3 |
Cell temperature | 96 ± 2 K |
Ambient diffraction temperature | 96 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1195 |
Residual factor for significantly intense reflections | 0.0516 |
Weighted residual factors for significantly intense reflections | 0.0909 |
Weighted residual factors for all reflections included in the refinement | 0.1012 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.102 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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